A model-potential approach for bismuth (I).: Densification and melting curve calculation

A model-potential approach for bismuth (I).: Densification and melting curve calculation
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DOI:
10.1016/s0378-4371(00)00514-8
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发表时间:
2001-01-15
期刊:
影响因子:
3.3
通讯作者:
Wetta, N
Wetta, N
中科院分区:
物理与天体物理2区
文献类型:
--
作者:
Pélissier, JL;Wetta, N

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尽管其相图的复杂性,相关的调查铋在高压下是可能的帮助下的模型势,如果微扰扩展扩展到三阶,证明了这里提出的计算(声子谱的阶段I,预测体积崩溃在25千巴附近,结构因子的液体铋,熔化曲线等)。(C)2001爱思唯尔科技有限公司。保留所有权利。
In spite of the intricacy of its phase diagram, a pertinent investigation of bismuth at high pressure is possible with the help of a model-potential, if perturbation expansion is extended up to third order, as evidenced by the calculations presented here (phonon spectrum of phase I, prediction of volume collapse in the vicinity of 25 kbar, structure factor of liquid Bi, melting curve, etc.). (C) 2001 Elsevier Science B.V. All rights reserved.